Structure of PDB 5hux Chain A Binding Site BS01

Receptor Information
>5hux Chain A (length=429) Species: 1140 (Synechococcus elongatus PCC 7942 = FACHB-805) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVVALGLDFGTSGARAIACDFDSDRSVSVSVTFPKTSQNWPQVWREALWQ
LLTQIPADWRSRIERIAIDGTSGTVLLCDREGQPQTEPLLYNQACPIDLA
DLADWVPADHAALSSTSSLAKLWFWQQQFGALPPDWQILAQADWLSLQLH
GCSQQSDYHNALKLGYSPDRERFSKNLLDSELGALLPVVHEPGVAIGPIL
PAIAQEFGLSPDCQICAGTTDSIAAFLASGAHQPGEAVTSLGSTIVLKLL
SQVAVSDRLTGVYSHKLGGYWLTGGASNCGGATLRQFFPDTELESLSCQI
DPTKKSGLDYYPLPSRGERFPIADPDRLPQLEPRPENPVQFLQGLLEGLT
QVETLGYQRLQDLGATPLKRIWTAGGGAKNAVWQQLRQQAIGVPIAIAPN
TEAAFGTARLAAFGLAAFHSAGLKRTLEH
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5hux Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5hux Crystal Structures of Putative Sugar Kinases from Synechococcus Elongatus PCC 7942 and Arabidopsis Thaliana
Resolution1.96 Å
Binding residue
(original residue number in PDB)		G242 S243 G281 R285 D290 L293 G376 G377 N380 W383
Binding residue
(residue number reindexed from 1)		G242 S243 G281 R285 D290 L293 G376 G377 N380 W383
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.47: D-ribulokinase.
Gene Ontology
Molecular Function
GO:0004370 glycerol kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0019150 D-ribulokinase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006071 glycerol metabolic process
GO:0006641 triglyceride metabolic process
GO:0016310 phosphorylation
GO:0046167 glycerol-3-phosphate biosynthetic process
GO:0046835 carbohydrate phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5hux, PDBe:5hux, PDBj:5hux
PDBsum5hux
PubMed27223615
UniProtQ31KC7|PSK_SYNE7 D-ribulose kinase (Gene Name=PSK)

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